NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3748 0.0000 0.0000 62.1584 31.8495 176.5426 3 T 3.8542 8.4092 114.5721 61.4103 70.6701 172.7915 4 I 3.8099 8.4553 122.8542 64.4873 37.4861 179.2232 5 N 4.2303 8.1580 117.2779 57.1143 38.7510 176.4170 6 Q 4.0144 8.2822 119.4118 59.3385 28.7143 179.7677 7 L 3.9350 7.8207 119.2404 57.6917 41.4793 179.4083 8 V 3.5900 7.6862 116.5202 66.8575 31.4596 177.4931 9 R 4.0358 8.1951 117.3935 58.8863 29.9219 178.6799 10 K 4.1167 9.1531 121.5731 56.4452 32.8415 176.3354 11 G 4.0368 7.6228 111.1419 44.1795 0.0000 173.6508 12 R 3.9853 8.2952 119.6534 55.7919 30.7211 176.0774 13 E 4.1935 8.5257 123.0067 54.7650 30.2323 176.4408 14 K 4.1140 8.5211 127.6209 56.9334 32.5153 174.4462 15 V 4.0946 8.0191 108.1703 62.5205 33.7632 172.6668 16 R 4.0523 8.0455 125.4037 55.3656 31.1126 175.2745 17 K 4.6801 8.2359 122.6489 54.5016 35.1942 176.0041 18 K 4.1201 8.3856 120.8521 56.5093 32.8624 178.2435 19 S 4.3880 8.7163 118.1216 57.2738 60.4403 174.7942 20 K 4.1981 7.5145 125.9304 58.4924 33.0892 176.0773 21 V 4.0473 7.5302 118.9029 61.1132 32.7088 172.8795 22 P 4.5646 0.0000 0.0000 61.4833 29.4533 178.2352 23 A 4.5790 7.7609 120.3697 52.5747 18.8260 174.8993 24 L 3.0285 10.8200 125.7664 56.7179 41.6763 175.8482 25 K 3.6722 9.1553 120.2644 56.0325 30.7632 175.5894 26 G 3.8614 7.7285 106.0467 46.5430 0.0000 171.8344 27 A 4.7307 7.2336 120.0878 49.4097 22.4867 175.2415 28 P 3.9851 0.0000 0.0000 65.3750 31.2840 176.3509 29 F 5.3229 7.3545 113.2704 56.6923 43.8617 174.0519 30 R 4.5895 8.4464 116.9394 55.6269 33.2189 174.6285 31 R 4.7439 9.0181 126.9051 56.5411 31.7950 175.0144 32 G 4.0276 8.5873 107.8729 45.8833 0.0000 172.2755 33 V 4.9517 7.8594 122.5219 61.1599 33.6074 174.7227 34 C 4.9444 8.6436 124.1470 57.6773 29.4655 173.8014 35 T 4.0023 8.8525 115.3502 64.1390 69.0894 173.8484 36 V 4.2637 7.6873 122.6131 60.0245 33.7519 174.5032 37 V 4.3901 8.0579 126.6097 61.4708 30.4834 174.7941 38 R 4.5378 7.8259 123.8241 56.1724 33.7981 174.4858 39 T 4.6967 8.2847 112.0547 61.7983 70.2066 174.5220 40 V 4.6728 8.8106 122.0075 59.5666 35.7186 174.5774 41 T 5.0175 8.5206 111.8200 59.3810 70.1682 173.3241 42 P 4.5500 0.0000 0.0000 62.2176 32.4548 176.3648 43 K 4.5444 8.1139 119.3579 56.5458 32.5027 180.0850 44 K 4.3543 8.1022 109.2883 56.0809 33.4530 173.7411 45 P 4.8967 0.0000 0.0000 62.3656 31.9690 174.5454 46 N 5.0639 7.4032 115.7148 52.3522 40.7739 174.6142 47 S 4.5790 8.1074 116.0961 56.8131 66.1905 173.6978 48 A 4.3305 7.5678 125.0072 52.3825 22.2647 174.4285 49 L 5.0975 8.2492 113.9889 52.7478 42.4809 175.4198 50 R 4.1932 8.8464 121.6919 55.9481 31.6908 175.6058 51 K 4.6592 8.6823 123.9928 56.1336 32.2679 176.3883 52 V 5.0491 7.8452 118.6976 60.3927 36.3595 174.0600 53 A 4.7674 8.0269 118.3233 51.6920 23.2641 176.4346 54 K 4.6104 8.9664 124.1541 56.5125 33.4306 176.6260 55 V 4.8520 9.3517 124.0563 61.1110 35.8300 173.8850 56 R 4.8760 9.1085 126.7711 54.8864 31.4223 175.8008 57 L 4.8472 8.9259 127.4508 54.3119 43.3145 177.7959 58 T 4.3568 8.2746 111.8950 59.2236 67.6024 174.3597 59 S 5.6505 9.3118 135.0000 59.5014 64.4929 178.5884 60 G 4.2191 8.0925 117.5177 47.8631 0.0000 174.5624 61 Y 3.9957 7.6034 117.0817 57.4612 38.7075 175.6336 62 E 5.5007 8.4222 121.9088 56.3611 31.7294 173.8228 63 V 4.8326 8.2505 122.3065 59.5434 35.3889 173.9364 64 T 5.0514 8.5061 110.1085 60.5681 71.0846 173.1839 65 A 5.3066 8.7896 128.0263 50.5161 22.2867 174.4745 66 Y 4.7032 8.8165 120.6988 56.4285 41.0077 174.9718 67 I 4.3003 7.3445 127.7873 58.8896 37.3078 173.9145 68 P 4.1074 0.0000 0.0000 63.0714 32.3879 178.0394 69 G 3.1499 7.8891 106.1717 45.0617 0.0000 172.5521 70 E 4.2047 8.3379 123.1441 54.8726 30.6269 177.1805 71 G 4.0150 8.7837 116.2374 45.1151 0.0000 171.3483 72 H 4.5688 7.5820 111.1623 55.6783 32.8995 172.9456 73 N 4.6349 8.3466 117.7208 52.1114 36.4357 173.2877 74 L 3.6390 9.3097 122.6474 54.1017 41.9058 173.1716 75 Q 4.5705 8.6513 121.1729 53.8070 33.0078 175.4181 76 E 4.3059 8.4343 118.1326 58.8647 29.5168 177.1485 77 H 5.1254 7.8625 112.2066 55.2565 30.9796 173.9281 78 S 4.4253 8.5270 116.9767 58.5597 63.7611 173.7475 79 V 4.3621 9.9559 126.1533 62.7030 32.6706 175.0231 80 V 4.6372 9.7176 127.3315 61.2449 36.1867 173.6746 81 L 5.0656 8.2844 125.5470 53.1204 43.3775 175.5156 82 I 4.4612 8.9477 128.7118 61.6655 37.7335 176.9902 83 R 4.7896 9.7113 124.7704 55.3623 32.4518 176.2893 84 G 3.8652 8.3186 104.8712 46.5769 0.0000 172.5807 85 G 3.9552 7.6308 111.1064 44.5339 0.0000 175.1393 86 R 4.1250 7.9841 124.7413 55.2263 30.6146 177.0464 87 V 4.0447 8.0446 117.2127 61.8970 32.1497 175.6943 88 K 3.9599 8.4282 128.8995 59.3454 32.7425 177.4787 89 D 4.3724 8.1759 118.2952 56.6088 41.2820 175.8903 90 L 4.6444 7.4546 123.1289 52.0100 40.7522 173.6963 91 P 4.5197 0.0000 0.0000 63.8397 31.9733 175.7418 92 G 4.0361 9.0431 109.9566 45.7902 0.0000 173.6937 93 V 4.1890 7.8342 119.3608 61.6368 30.2716 175.8937 94 R 4.4334 8.5912 126.1226 56.5143 31.7905 175.4377 95 Y 4.8017 7.9410 116.6155 56.3477 42.6643 173.9196 96 H 5.7106 8.9051 116.2484 54.3227 32.4480 173.7930 97 I 4.4449 8.8370 123.1498 61.1238 38.6692 176.4591 98 V 4.0837 8.2903 125.3052 60.9848 31.5393 175.1231 99 R 3.8934 8.4734 125.7625 57.9726 30.4685 177.0395 100 G 3.8603 8.8830 109.0733 45.8917 0.0000 173.3052 101 V 4.2293 6.9195 117.7655 61.6627 35.9183 174.9676 102 Y 4.0015 9.1532 126.3518 59.6015 35.3718 170.4756 103 D 4.6328 6.0500 129.5033 55.3416 43.1827 176.2562 104 A 4.0483 7.7763 122.3616 51.5977 17.5671 176.9617 105 A 4.4941 8.1235 123.9236 52.2725 19.2770 177.3973 106 G 4.3621 8.1676 106.6609 45.3248 0.0000 173.7065 107 V 3.8673 8.0665 121.4357 62.4240 32.5779 175.2360 108 K 4.2666 8.5342 129.5649 57.6649 32.3858 176.7390 109 D 4.7866 9.1549 125.9265 54.1737 39.1978 174.6974 110 R 4.0258 7.2837 119.5818 56.5393 30.2374 176.0059 111 K 4.5372 8.7004 123.0129 55.9524 34.6853 176.1729 112 K 4.4046 8.0113 117.8942 56.0420 33.8487 176.6768 113 S 3.5579 8.3498 114.6306 59.7949 61.5755 172.3323 114 R 4.5163 7.4403 118.6782 56.9399 30.5521 178.9868 115 S 4.1820 7.8196 115.0561 60.0826 64.0096 174.7033 116 K 4.1537 7.0975 120.4797 56.4284 32.8998 177.1091 117 Y 3.6960 8.5103 118.2032 58.4873 35.8864 169.7423 118 G 3.9935 7.0130 103.2376 46.8169 0.0000 171.5163 119 T 4.5900 8.3480 119.2059 61.5475 70.7985 174.7635 120 K 3.9078 8.6658 126.0504 55.8865 32.6552 176.4871 121 K 3.8967 8.4261 121.5031 55.8058 31.9760 174.7960 122 P 4.3587 0.0000 0.0000 62.6073 30.0213 175.1300 123 K 3.9867 8.4489 126.9336 56.6233 32.7314 173.9955 124 E 3.8744 8.6747 127.4446 56.1068 29.3613 177.7702 125 A 4.1558 8.2396 131.4740 51.6238 16.7865 177.9058 *126 A 4.1172 7.6418 128.1342 52.0404 18.9464 177.0489 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 P 0.00 4.37 0.00 2.06 2.10 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 3 T 8.41 3.85 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 4 I 8.46 3.81 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.25 0.91 0.00 0.00 5 N 8.16 4.23 0.00 2.78 2.82 0.00 0.00 7.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.28 4.01 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 7 L 7.82 3.94 0.00 1.79 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.69 3.59 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.00 0.00 0.00 9 R 8.20 4.04 0.00 1.97 1.88 0.00 3.21 0.00 0.00 3.22 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 10 K 9.15 4.12 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.49 7.81 11 G 7.62 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.30 3.99 0.00 1.81 1.87 0.00 3.36 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 13 E 8.53 4.19 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 14 K 8.52 4.11 0.00 1.75 1.76 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 15 V 8.02 4.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 16 R 8.05 4.05 0.00 1.94 1.94 0.00 3.18 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 17 K 8.24 4.68 0.00 1.84 1.72 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.39 7.81 18 K 8.39 4.12 0.00 1.74 1.77 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.49 7.81 19 S 8.72 4.39 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.51 4.20 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.43 7.81 21 V 7.53 4.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.58 0.00 0.00 22 P 0.00 4.56 0.00 2.09 2.18 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 23 A 7.76 4.58 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 10.82 3.03 0.00 1.75 1.56 -0.13 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.16 3.67 0.00 1.89 1.91 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.38 7.81 26 G 7.73 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.23 4.73 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 3.99 0.00 1.65 1.64 0.00 3.57 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 29 F 7.35 5.32 0.00 2.95 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.45 4.59 0.00 2.00 1.77 0.00 3.42 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 31 R 9.02 4.74 0.00 2.16 1.86 0.00 3.10 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 32 G 8.59 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.86 4.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.92 0.00 0.00 34 C 8.64 4.94 0.00 3.05 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.85 4.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 36 V 7.69 4.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.94 0.00 0.00 37 V 8.06 4.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.94 0.00 0.00 38 R 7.83 4.54 0.00 1.92 1.82 0.00 3.19 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 39 T 8.28 4.70 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 40 V 8.81 4.67 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.98 0.00 0.00 41 T 8.52 5.02 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 42 P 0.00 4.55 0.00 2.17 2.15 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 43 K 8.11 4.54 0.00 2.07 0.80 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.34 7.81 44 K 8.10 4.35 0.00 1.77 1.09 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.48 7.81 45 P 0.00 4.90 0.00 2.19 2.08 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 46 N 7.40 5.06 0.00 2.80 2.75 0.00 0.00 6.61 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.11 4.58 0.00 3.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.57 4.33 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.25 5.10 0.00 1.50 1.59 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.85 4.19 0.00 2.06 2.14 0.00 3.22 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 51 K 8.68 4.66 0.00 1.49 1.53 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.50 7.81 52 V 7.85 5.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.98 0.00 0.00 53 A 8.03 4.77 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.97 4.61 0.00 1.72 1.76 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.41 7.81 55 V 9.35 4.85 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.03 0.00 0.00 56 R 9.11 4.88 0.00 1.92 1.79 0.00 3.18 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 57 L 8.93 4.85 0.00 1.69 1.60 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.27 4.36 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 59 S 9.31 5.65 0.00 4.22 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.09 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.60 4.00 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.42 5.50 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 63 V 8.25 4.83 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.47 0.00 0.00 64 T 8.51 5.05 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 65 A 8.79 5.31 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.82 4.70 0.00 3.16 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.34 4.30 1.60 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.60 0.66 0.00 0.00 68 P 0.00 4.11 0.00 1.99 2.04 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 69 G 7.89 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.34 4.20 0.00 1.79 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 71 G 8.78 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 7.58 4.57 0.00 3.18 3.19 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.35 4.63 0.00 2.74 2.04 0.00 0.00 5.94 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 9.31 3.64 0.00 1.83 1.77 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.65 4.57 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.60 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 76 E 8.43 4.31 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.41 0.00 77 H 7.86 5.13 0.00 3.01 3.20 0.00 5.77 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.53 4.43 0.00 3.83 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 9.96 4.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.83 0.00 0.00 80 V 9.72 4.64 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.03 0.00 0.00 81 L 8.28 5.07 0.00 1.32 1.27 0.34 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.95 4.46 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.13 0.96 0.00 0.00 83 R 9.71 4.79 0.00 1.92 2.13 0.00 3.45 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 84 G 8.32 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.63 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.98 4.12 0.00 1.94 1.87 0.00 2.69 0.00 0.00 3.74 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 87 V 8.04 4.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.62 0.00 0.00 88 K 8.43 3.96 0.00 1.69 1.80 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.55 7.81 89 D 8.18 4.37 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.45 4.64 0.00 1.72 1.64 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.52 0.00 2.04 1.99 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 92 G 9.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.83 4.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 1.03 0.00 0.00 94 R 8.59 4.43 0.00 1.75 1.33 0.00 2.97 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 95 Y 7.94 4.80 0.00 3.14 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 H 8.91 5.71 0.00 3.19 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.84 4.44 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 0.91 0.00 0.00 98 V 8.29 4.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.74 0.00 0.00 99 R 8.47 3.89 0.00 1.87 2.02 0.00 3.43 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 100 G 8.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 6.92 4.23 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.67 0.00 0.00 102 Y 9.15 4.00 0.00 3.20 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 6.05 4.63 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.78 4.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.12 4.49 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.17 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.07 3.87 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.78 0.00 0.00 108 K 8.53 4.27 0.00 1.80 1.68 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.47 7.81 109 D 9.15 4.79 0.00 2.89 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.28 4.03 0.00 1.85 1.92 0.00 3.35 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 111 K 8.70 4.54 0.00 1.75 1.80 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.42 7.81 112 K 8.01 4.40 0.00 1.77 1.74 0.00 1.90 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.42 7.81 113 S 8.35 3.56 0.00 3.90 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.44 4.52 0.00 1.91 2.08 0.00 3.31 0.00 0.00 3.50 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 115 S 7.82 4.18 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.10 4.15 0.00 0.94 1.30 0.00 1.44 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.16 7.81 117 Y 8.51 3.70 0.00 3.17 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 7.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.35 4.59 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 120 K 8.67 3.91 0.00 1.74 1.78 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.40 7.81 121 K 8.43 3.90 0.00 1.69 1.74 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 122 P 0.00 4.36 0.00 2.22 2.11 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 123 K 8.45 3.99 0.00 1.85 1.73 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.52 7.81 124 E 8.67 3.87 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 125 A 8.24 4.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *126 A 7.64 4.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.